SCHEMBL6038900

SCHEMBL6038900

O=S(=O)(Nc1nccnc1OCCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TAAR1 Q96RJ0 1/20 0.51
AR P10275 1/20 0.50
CCR2 P41597 1/20 0.46
EDNRB P24530 1/20 0.46
EDNRA P25101 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ALOX12 P18054 2/20 0.45
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
F2 P00734 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6039037 0.89 MYLK (0.51) KMT2AMEN1ARCCR2EDNRB
SCHEMBL6038918 0.89 AR (0.49) KMT2AMEN1ARCCR2EDNRA
SCHEMBL6038939 0.89 AR (0.49) KMT2AMEN1ARCCR2EDNRB
SCHEMBL6038562 0.88 KMT2A (0.49) KMT2AMEN1CCR2EDNRBEDNRA
SCHEMBL6039220 0.88 MEN1 (0.53) KMT2AMEN1ARCCR2EDNRB
SCHEMBL6038537 0.83 KMT2A (0.76) KMT2AMEN1TAAR1ARALDH1A1
SCHEMBL6039097 0.83 MEN1 (0.48) KMT2AMEN1ARCCR2EDNRA
SCHEMBL6038807 0.82 KMT2A (0.47) KMT2AMEN1CCR2EDNRBEDNRA
SCHEMBL6038757 0.82 AR (0.47) KMT2AMEN1ARCCR2EDNRA
SCHEMBL6038495 0.82 KMT2A (0.50) KMT2AMEN1CCR2EDNRBEDNRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004010-A1 Ccr4 antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004010-A1 Ccr4 antagonist and medical use thereof CCR4, CCR1, CCR9 KMT2A 4190/4885MEN1 2431/4885TAAR1 287/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.